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Home > Bromides > 1011460-49-3
1011460-49-3 | 4-Bromo-2-fluoro-5-methylbenzenethiol
CAS No: 1011460-49-3 Catalog No: AG01FCUV MDL No:MFCD12026122
Product Description
Catalog Number:
AG01FCUV
Chemical Name:
4-Bromo-2-fluoro-5-methylbenzenethiol
CAS Number:
1011460-49-3
Molecular Formula:
C7H6BrFS
Molecular Weight:
221.0899
MDL Number:
MFCD12026122
IUPAC Name:
4-bromo-2-fluoro-5-methylbenzenethiol
InChI:
InChI=1S/C7H6BrFS/c1-4-2-7(10)6(9)3-5(4)8/h2-3,10H,1H3
InChI Key:
JRARVLFRFWIHRT-UHFFFAOYSA-N
SMILES:
Brc1cc(F)c(cc1C)S
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.936g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.087g/mol
Monoisotopic Mass:
219.936g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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